SCHEMBL28061596

SCHEMBL28061596

CCCCCCC(COCCO)OCCO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.46
LPAR1 Q92633 5/20 0.45
LPAR3 Q9UBY5 5/20 0.45
LPAR2 Q9HBW0 2/20 0.45
TLR2 O60603 3/20 0.41
LMNA P02545 1/20 0.41
DNM1 Q05193 1/20 0.40
LPAR6 P43657 1/20 0.39
LPAR4 Q99677 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8734209 1.00 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL11038603 1.00 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL28061599 0.98 HTT (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL27602642 0.92 TSHR (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL31229949 0.91 MEN1 (0.61) HTTMEN1THRBKMT2AMAPT
SCHEMBL29640487 0.91 MEN1 (0.61) HTTMEN1THRBKMT2AMAPT
SCHEMBL27287704 0.91 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL8642161 0.88 MEN1 (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL490564 0.88 MEN1 (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL8772499 0.88 MEN1 (0.48) HTTMEN1THRBKMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105637075-A Novel functional fluid compositions BASF SE 2016-06-01 CN disclosed